[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-18(31-22(27)12-11-20-9-5-6-10-21(20)26(29)30)23(28)25-15-13-24(14-16-25)17-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3/b12-11+